1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea

C18H22ClN3O2 — CID 67416108

IUPAC1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea
SMILESO=C(NCCCCCCOc1ccc(Cl)cc1)Nc1ccncc1
InChIInChI=1S/C18H22ClN3O2/c19-15-5-7-17(8-6-15)24-14-4-2-1-3-11-21-18(23)22-16-9-12-20-13-10-16/h5-10,12-13H,1-4,11,14H2,(H2,20,21,22,23)
InChIKeyIARFTIPHYWEUAM-UHFFFAOYSA-N
MW347.85 g/mol
LogP4.50
Rot. Bonds9

About 1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea

1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea (PubChem CID 67416108) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea
PubChem CID67416108
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea
SMILESO=C(NCCCCCCOc1ccc(Cl)cc1)Nc1ccncc1
InChIInChI=1S/C18H22ClN3O2/c19-15-5-7-17(8-6-15)24-14-4-2-1-3-11-21-18(23)22-16-9-12-20-13-10-16/h5-10,12-13H,1-4,11,14H2,(H2,20,21,22,23)
InChIKeyIARFTIPHYWEUAM-UHFFFAOYSA-N
XLogP4.50
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-phenoxybutyl)-3-phenylurea
CID 19353776
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea
CID 166219931
1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea
CID 112971005
1-(11-phenoxyundecyl)-3-pyridin-4-ylthiourea
CID 23296337
2-(4-chlorophenoxy)-N-pyridin-4-ylacetamide;hydrochloride
CID 163329233
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
6-[(4-chlorophenyl)methylcarbamoylamino]-N-pyridin-4-ylhexanamide
CID 166835235
1-(2-aminoethyl)-3-pyridin-4-ylurea
CID 82503728
4-(pyridin-4-ylcarbamoylamino)butanoic acid
CID 108892691
1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea
CID 47202619
1-[2-(4-chlorophenoxy)ethyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea
CID 60600852

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea (CID 67416108) is 1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea is O=C(NCCCCCCOc1ccc(Cl)cc1)Nc1ccncc1.
What is the InChIKey of 1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea?
The InChIKey is IARFTIPHYWEUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c19-15-5-7-17(8-6-15)24-14-4-2-1-3-11-21-18(23)22-16-9-12-20-13-10-16/h5-10,12-13H,1-4,11,14H2,(H2,20,21,22,23).
What are the key properties of 1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea?
1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea has a molecular weight of 347.85 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea is sourced from PubChem (CID 67416108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).